[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-iodobenzoate
Formula:C14H10N2O2BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] 4-iodobenzoate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-iodobenzoate |
| MolecularFormula | C14H10N2O2BrI |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(c(cc1)ccc1I)=O |
| InChI | InChI=1S/C14H10BrIN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18) |
| InChIK | QBHPEBWQLUJTHM-UHFFFAOYSA-N |
| TotalMolweight | 445.049 |
| Molweight | 445.049 |
| MonoisotopicMass | 443.897037 |
| CLogP | 4.2344 |
| CLogS | -5.386 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.17 |
| Relative PSA | 0.21006 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -3.924 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-iodobenzoate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 4-iodobenzoate
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